1-(2,4-dihydroxyphenyl)-2-[(6-methylpyrimidin-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(2,4-dihydroxyphenyl)-2-[(6-methylpyrimidin-4-yl)sulfanyl]ethan-1-one
1-(2,4-dihydroxyphenyl)-2-[(6-methylpyrimidin-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | D306-0518 |
| Compound Name: | 1-(2,4-dihydroxyphenyl)-2-[(6-methylpyrimidin-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 276.31 |
| Molecular Formula: | C13 H12 N2 O3 S |
| Smiles: | Cc1cc(ncn1)SCC(c1ccc(cc1O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1472 |
| logD: | 1.9976 |
| logSw: | -2.6247 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.356 |
| InChI Key: | ICLHUGKUCQCOAE-UHFFFAOYSA-N |